3W3M
Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-02 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.770, 106.000, 72.320 |
| Unit cell angles | 90.00, 106.94, 90.00 |
Refinement procedure
| Resolution | 41.835 - 2.700 |
| R-factor | 0.2221 |
| Rwork | 0.220 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 42.070 |
| High resolution limit [Å] | 2.700 |
| Number of reflections | 26593 |
| <I/σ(I)> | 7.9 |
| Completeness [%] | 98.0 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 293 | 12%(w/v) PEG3350, 0.2M potassium formate, 0.1M sodium citrate, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
